3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole

C9H13N3 — CID 130987786

IUPAC3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1CC1=CCCC1
InChIInChI=1S/C9H13N3/c1-12-7-10-11-9(12)6-8-4-2-3-5-8/h4,7H,2-3,5-6H2,1H3
InChIKeyGVQFGYVNQPNDKD-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.47
Rot. Bonds2

About 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole

3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole (PubChem CID 130987786) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole
PubChem CID130987786
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1CC1=CCCC1
InChIInChI=1S/C9H13N3/c1-12-7-10-11-9(12)6-8-4-2-3-5-8/h4,7H,2-3,5-6H2,1H3
InChIKeyGVQFGYVNQPNDKD-UHFFFAOYSA-N
XLogP1.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Cyclohexen-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 128563745
4-Methyl-3-pent-3-enyl-1,2,4-triazole
CID 69341903
4-(6-Methylhepta-4,6-dienyl)-3-propyl-1,2,4-triazole
CID 123155448
3-(6-Ethylocta-4,6-dienyl)-1-methyl-1,2,4-triazole
CID 123513251
5,6-Dimethyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 123757273
1-methyl-3-[(Z)-2-methyl-3-methylidenenon-7-en-2-yl]-1,2,4-triazole
CID 129141271
4-methyl-3-[(4R)-5-methyl-3-methylideneoct-1-en-4-yl]-1,2,4-triazole
CID 170732282
3-[(1Z)-2-ethenylhexa-1,5-dienyl]-4-methyl-1,2,4-triazole
CID 172299413
4-methyl-3-[(1Z)-2-prop-1-en-2-ylhexa-1,5-dienyl]-1,2,4-triazole
CID 172299525
6,7,10,11-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azonine
CID 174018766
5-[(3-Chlorocyclohexen-1-yl)methyl]-1-methyl-1,2,4-triazole
CID 65613803
5-[(3-Chlorocyclopenten-1-yl)methyl]-1-methyl-1,2,4-triazole
CID 65613805

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole (CID 130987786) is 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole is Cn1cnnc1CC1=CCCC1.
What is the InChIKey of 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole?
The InChIKey is GVQFGYVNQPNDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-12-7-10-11-9(12)6-8-4-2-3-5-8/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole?
3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole has a molecular weight of 163.22 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-ylmethyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 130987786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).